54322-77-9
H-ORN-BETA-NA CARBONATE
Name
H-ORN-BETA-NA CARBONATE
Formula
C15 H19 N3 O . C H2 O3
MolWeight
319.359
1Identification
【Name】
H-ORN-BETA-NA CARBONATE
【CAS】
【MDL】
MFCD00238097
【English Synonyms】
【Formula】
C15 H19 N3 O . C H2 O3
【MolWeight】
319.359
【Inchi】
InChI=1S/C15H19N3O.CH2O3/c16-9-3-6-14(17)15(19)18-13-8-7-11-4-1-2-5-12(11)10-13;2-1(3)4/h1-2,4-5,7-8,10,14H,3,6,9,16-17H2,(H,18,19);(H2,2,3,4)/t14-;/m0./s1
【InChIKey】
InChIKey=NVUXEINXRSYOMP-UQKRIMTDSA-N
【SMILES】
c1ccc2cc(ccc2c1)NC(=O)[C@H](CCCN)N.C(=O)(O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
Chem-Impex International, Inc. :H-ORN-BETA-NA CARBONATE
4CML File
H-ORN-BETA-NA CARBONATE.cml
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